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28749-00-0 | Cyclopentapyrazole, 1,4,5,6-tetrahydro-3-phenyl-
CAS No: 28749-00-0 Catalog No: AG002WC0 MDL No:
Product Description
Catalog Number:
AG002WC0
Chemical Name:
Cyclopentapyrazole, 1,4,5,6-tetrahydro-3-phenyl-
CAS Number:
28749-00-0
Molecular Formula:
C12H12N2
Molecular Weight:
184.2371
IUPAC Name:
3-phenyl-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
InChI:
InChI=1S/C12H12N2/c1-2-5-9(6-3-1)12-10-7-4-8-11(10)13-14-12/h1-3,5-6H,4,7-8H2,(H,13,14)
InChI Key:
VHFKRPJDQQZAOP-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1n[nH]c2c1CCC2
EC Number:
249-196-1
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.1g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.242g/mol
Monoisotopic Mass:
184.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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